Related papers: Gyrokinetic Simulations on Many- and Multi-core Ar…
Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…
More and more massive parallel codes running on several hundreds of thousands of cores enter the computational science and engineering domain, allowing high-fidelity computations on up to trillions of unknowns for very detailed analyses of…
A high-order piecewise field-aligned triangular finite element method is developed and implemented for global electromagnetic gyrokinetic particle-in-cell simulations of tokamak plasmas with open field lines. The approach combines locally…
The $\delta f$ particle-in-cell algorithm has been a useful tool in studying the physics of plasmas, particularly turbulent magnetized plasmas in the context of gyrokinetics. The reduction in noise due to not having to resolve the full…
In this paper we deal with the impact of multi and many-core processor architectures on simulation. Despite the fact that modern CPUs have an increasingly large number of cores, most softwares are still unable to take advantage of them. In…
Resource-limited robots face significant challenges in executing computationally intensive tasks, such as locomotion and manipulation, particularly for real-time optimal control algorithms like Model Predictive Control (MPC). This paper…
Modern high-performance computing architectures (Multicore, GPU, Manycore) are based on tightly-coupled clusters of processing elements, physically implemented as rectangular tiles. Their size and aspect ratio strongly impact the achievable…
The ISO C++17 standard introduces \emph{parallel algorithms}, a parallel programming model promising portability across a wide variety of parallel hardware including multi-core CPUs, GPUs, and FPGAs. Since 2019, the NVIDIA HPC SDK compiler…
Particle-in-Cell (PIC) simulations are fundamental to plasma physics but often suffer from limited scalability due to particle-grid interaction bottlenecks and particle redistribution costs. Specifically, the particle-grid interaction…
Generalized-ensemble Monte Carlo simulations such as the multicanonical method and similar techniques are among the most efficient approaches for simulations of systems undergoing discontinuous phase transitions or with rugged free- energy…
The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…
Heterogeneity is omnipresent in today's commodity computational systems, which comprise at least one multi-core Central Processing Unit (CPU) and one Graphics Processing Unit (GPU). Nonetheless, all this computing power is not being…
Molecular dynamics simulations, an indispensable research tool in computational chemistry and materials science, consume a significant portion of the supercomputing cycles around the world. We focus on multi-body potentials and aim at…
Over the past decade, GPUs have demonstrated significant potential in accelerating Online Analytical Processing (OLAP) operations. However, there remains a substantial gap in their application to Online Transaction Processing (OLTP), as…
We present an easy to use and flexible grid library for developing highly scalable parallel simulations. The distributed cartesian cell-refinable grid (dccrg) supports adaptive mesh refinement and allows an arbitrary C++ class to be used as…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
Recent advances in machine learning (ML) have spotlighted the pressing need for computing architectures that bridge the gap between memory bandwidth and processing power. The advent of deep neural networks has pushed traditional Von Neumann…
The nonlinear gyrokinetic equations describe plasma turbulence in laboratory and astrophysical plasmas. To solve these equations, massively parallel codes have been developed and run on present-day supercomputers. This paper describes…
With the shrinking of technology nodes and the use of parallel processor clusters in hostile and critical environments, such as space, run-time faults caused by radiation are a serious cross-cutting concern, also impacting architectural…
Self-consistent simulations of neoclassical and electrostatic turbulent transport in a DIII-D H-mode edge plasma under resonant magnetic perturbations (RMPs) have been performed using the global total-f gyrokinetic particle-in-cell code…